(3E)-N-[(2-chlorophenyl)methyl]-1-ethanoyl-2-oxidanyl-3-phenacylidene-2-phenyl-10bH-pyrrolo[2,1-a]isoquinoline-1-carboxamide

Systemtic Name: (3E)-N-[(2-chlorophenyl)methyl]-1-ethanoyl-2-oxidanyl-3-phenacylidene-2-phenyl-10bH-pyrrolo[2,1-a]isoquinoline-1-carboxamide Openeye Name: (3E)-1-acetyl-N-[(2-chlorophenyl)methyl]-2-hydroxy-3-phenacylidene-2-phenyl-10bH-pyrrolo[2,1-a]isoquinoline-1-carboxamide CAS Name: (3E)-1-acetyl-N-[(2-chlorophenyl)methyl]-2-hydroxy-3-phenacylidene-2-phenyl-10bH-pyrrolo[2,1-a]isoquinoline-1-carboxamide IUPAC Name: (3E)-1-acetyl-N-[(2-chlorophenyl)methyl]-2-hydroxy-3-phenacylidene-2-phenyl-10bH-pyrrolo[2,1-a]isoquinoline-1-carboxamide Traditional Name: (3E)-1-acetyl-N-(2-chlorobenzyl)-2-hydroxy-3-phenacylidene-2-phenyl-10bH-pyrrol[2,1-a]isoquinoline-1-carboxamide Formula: C36H29ClN2O4 MolecularWeight: 589.07946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2C3=CC=CC=C3C=CN2C(=CC(=O)C4=CC=CC=C4)C1(C5=CC=CC=C5)O)C(=O)NCC6=CC=CC=C6Cl

Isomeric SMILES

CC(=O)C1(C2C3=CC=CC=C3C=CN2/C(=C/C(=O)C4=CC=CC=C4)/C1(C5=CC=CC=C5)O)C(=O)NCC6=CC=CC=C6Cl

InChI

InChI=1S/C36H29ClN2O4/c1-24(40)35(34(42)38-23-27-15-9-11-19-30(27)37)33-29-18-10-8-12-25(29)20-21-39(33)32(22-31(41)26-13-4-2-5-14-26)36(35,43)28-16-6-3-7-17-28/h2-22,33,43H,23H2,1H3,(H,38,42)/b32-22+